3-[[2-[2-(6-carbamimidoyl-1-methyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-[[2-[2-(6-carbamimidoyl-1-methyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-[[2-[2-(6-carbamimidoyl-1-methyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]benzothiophene-2-carboxamide CAS Name: 3-[[2-[2-(6-carbamimidoyl-1-methyl-2-indolyl)ethyl]-2-pyrrolidinyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-[[2-[2-(6-carbamimidoyl-1-methylindol-2-yl)ethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-[[2-[2-(6-amidino-1-methyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]benzothiophene-2-carboxamide Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3(CCCN3)CC4=C(SC5=CC=CC=C54)C(=O)N

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3(CCCN3)CC4=C(SC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C26H29N5OS/c1-31-18(13-16-7-8-17(24(27)28)14-21(16)31)9-11-26(10-4-12-30-26)15-20-19-5-2-3-6-22(19)33-23(20)25(29)32/h2-3,5-8,13-14,30H,4,9-12,15H2,1H3,(H3,27,28)(H2,29,32)